4-(2-ethoxyprop-2-enyl)-3-methylphenol

C12H16O2 — CID 141087727

IUPAC4-(2-ethoxyprop-2-enyl)-3-methylphenol
SMILESC=C(Cc1ccc(O)cc1C)OCC
InChIInChI=1S/C12H16O2/c1-4-14-10(3)8-11-5-6-12(13)7-9(11)2/h5-7,13H,3-4,8H2,1-2H3
InChIKeyRDSKIEFUGBKCQT-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.79
Rot. Bonds4

About 4-(2-ethoxyprop-2-enyl)-3-methylphenol

4-(2-ethoxyprop-2-enyl)-3-methylphenol (PubChem CID 141087727) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(2-ethoxyprop-2-enyl)-3-methylphenol.

Molecular Properties

Compound Name4-(2-ethoxyprop-2-enyl)-3-methylphenol
PubChem CID141087727
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-(2-ethoxyprop-2-enyl)-3-methylphenol
SMILESC=C(Cc1ccc(O)cc1C)OCC
InChIInChI=1S/C12H16O2/c1-4-14-10(3)8-11-5-6-12(13)7-9(11)2/h5-7,13H,3-4,8H2,1-2H3
InChIKeyRDSKIEFUGBKCQT-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-[(4-hydroxy-2-methylphenyl)methyl]butanoate
CID 129390937
4-(ethylsulfonylmethyl)-3-methylphenol
CID 117219414
4-(2-bromoethyl)-3-methylphenol
CID 154476317
3-methyl-4-octylphenol
CID 67863636
4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol
CID 167217978
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 20846170
ethyl 3-(4-hydroxy-2-methylphenyl)prop-2-ynoate
CID 165451931
methyl (2R)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 15730454
4-hex-3-ynyl-3-methylphenol
CID 83923359
3,4-bis(ethoxymethyl)phenol
CID 175162905
4-[(4-fluorophenoxy)methyl]-3-methylphenol
CID 117219687

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyprop-2-enyl)-3-methylphenol?
The IUPAC name of 4-(2-ethoxyprop-2-enyl)-3-methylphenol (CID 141087727) is 4-(2-ethoxyprop-2-enyl)-3-methylphenol.
What is the SMILES notation for 4-(2-ethoxyprop-2-enyl)-3-methylphenol?
The canonical SMILES for 4-(2-ethoxyprop-2-enyl)-3-methylphenol is C=C(Cc1ccc(O)cc1C)OCC.
What is the InChIKey of 4-(2-ethoxyprop-2-enyl)-3-methylphenol?
The InChIKey is RDSKIEFUGBKCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-14-10(3)8-11-5-6-12(13)7-9(11)2/h5-7,13H,3-4,8H2,1-2H3.
What are the key properties of 4-(2-ethoxyprop-2-enyl)-3-methylphenol?
4-(2-ethoxyprop-2-enyl)-3-methylphenol has a molecular weight of 192.26 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyprop-2-enyl)-3-methylphenol is sourced from PubChem (CID 141087727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).